1-[[5-fluoro-6-[(5-methyl-1,2-oxazol-3-yl)methoxy]-1H-indol-2-yl]methyl]-3-methylurea

C16H17FN4O3 — CID 171518246

IUPAC1-[[5-fluoro-6-[(5-methyl-1,2-oxazol-3-yl)methoxy]-1H-indol-2-yl]methyl]-3-methylurea
SMILESCNC(=O)NCc1cc2cc(F)c(OCc3cc(C)on3)cc2[nH]1
InChIInChI=1S/C16H17FN4O3/c1-9-3-12(21-24-9)8-23-15-6-14-10(5-13(15)17)4-11(20-14)7-19-16(22)18-2/h3-6,20H,7-8H2,1-2H3,(H2,18,19,22)
InChIKeyXFHNEUQOAAGVKA-UHFFFAOYSA-N
MW332.34 g/mol
LogP2.61
Rot. Bonds5

About 1-[[5-fluoro-6-[(5-methyl-1,2-oxazol-3-yl)methoxy]-1H-indol-2-yl]methyl]-3-methylurea

1-[[5-fluoro-6-[(5-methyl-1,2-oxazol-3-yl)methoxy]-1H-indol-2-yl]methyl]-3-methylurea (PubChem CID 171518246) has the molecular formula C16H17FN4O3 and a molecular weight of 332.34 g/mol. Its IUPAC name is 1-[[5-fluoro-6-[(5-methyl-1,2-oxazol-3-yl)methoxy]-1H-indol-2-yl]methyl]-3-methylurea.

Molecular Properties

Compound Name1-[[5-fluoro-6-[(5-methyl-1,2-oxazol-3-yl)methoxy]-1H-indol-2-yl]methyl]-3-methylurea
PubChem CID171518246
Molecular FormulaC16H17FN4O3
Molecular Weight332.34 g/mol
Exact Mass332.13
IUPAC Name1-[[5-fluoro-6-[(5-methyl-1,2-oxazol-3-yl)methoxy]-1H-indol-2-yl]methyl]-3-methylurea
SMILESCNC(=O)NCc1cc2cc(F)c(OCc3cc(C)on3)cc2[nH]1
InChIInChI=1S/C16H17FN4O3/c1-9-3-12(21-24-9)8-23-15-6-14-10(5-13(15)17)4-11(20-14)7-19-16(22)18-2/h3-6,20H,7-8H2,1-2H3,(H2,18,19,22)
InChIKeyXFHNEUQOAAGVKA-UHFFFAOYSA-N
XLogP2.61
TPSA92.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.34
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[5-fluoro-6-[(5-methyl-1,2-oxazol-3-yl)methoxy]-1H-indol-2-yl]methyl]-3-methylurea?
The IUPAC name of 1-[[5-fluoro-6-[(5-methyl-1,2-oxazol-3-yl)methoxy]-1H-indol-2-yl]methyl]-3-methylurea (CID 171518246) is 1-[[5-fluoro-6-[(5-methyl-1,2-oxazol-3-yl)methoxy]-1H-indol-2-yl]methyl]-3-methylurea.
What is the SMILES notation for 1-[[5-fluoro-6-[(5-methyl-1,2-oxazol-3-yl)methoxy]-1H-indol-2-yl]methyl]-3-methylurea?
The canonical SMILES for 1-[[5-fluoro-6-[(5-methyl-1,2-oxazol-3-yl)methoxy]-1H-indol-2-yl]methyl]-3-methylurea is CNC(=O)NCc1cc2cc(F)c(OCc3cc(C)on3)cc2[nH]1.
What is the InChIKey of 1-[[5-fluoro-6-[(5-methyl-1,2-oxazol-3-yl)methoxy]-1H-indol-2-yl]methyl]-3-methylurea?
The InChIKey is XFHNEUQOAAGVKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4O3/c1-9-3-12(21-24-9)8-23-15-6-14-10(5-13(15)17)4-11(20-14)7-19-16(22)18-2/h3-6,20H,7-8H2,1-2H3,(H2,18,19,22).
What are the key properties of 1-[[5-fluoro-6-[(5-methyl-1,2-oxazol-3-yl)methoxy]-1H-indol-2-yl]methyl]-3-methylurea?
1-[[5-fluoro-6-[(5-methyl-1,2-oxazol-3-yl)methoxy]-1H-indol-2-yl]methyl]-3-methylurea has a molecular weight of 332.34 g/mol, XLogP of 2.61, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-fluoro-6-[(5-methyl-1,2-oxazol-3-yl)methoxy]-1H-indol-2-yl]methyl]-3-methylurea is sourced from PubChem (CID 171518246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).